[2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-[2-(diethylazaniumyl)ethyl]-methyl-azanium dichloride

Systemtic Name: [2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-[2-(diethylazaniumyl)ethyl]-methyl-azanium dichloride Openeye Name: [2-(3-chloro-2-methyl-anilino)-2-oxo-ethyl]-[2-(diethylammonio)ethyl]-methyl-ammonium dichloride CAS Name: [2-(3-chloro-2-methylanilino)-2-oxoethyl]-[2-(diethylammonio)ethyl]-methylammonium dichloride IUPAC Name: [2-(3-chloro-2-methylanilino)-2-oxoethyl]-[2-(diethylazaniumyl)ethyl]-methylazanium dichloride Traditional Name: [2-(3-chloro-2-methyl-anilino)-2-keto-ethyl]-[2-(diethylammonio)ethyl]-methyl-ammonium dichloride Formula: C16H28Cl3N3O MolecularWeight: 384.77202

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC[NH+](C)CC(=O)NC1=C(C(=CC=C1)Cl)C.[Cl-].[Cl-]

Isomeric SMILES

CC[NH+](CC)CC[NH+](C)CC(=O)NC1=C(C(=CC=C1)Cl)C.[Cl-].[Cl-]

InChI

InChI=1S/C16H26ClN3O.2ClH/c1-5-20(6-2)11-10-19(4)12-16(21)18-15-9-7-8-14(17)13(15)3;;/h7-9H,5-6,10-12H2,1-4H3,(H,18,21);2*1H